Geometry & MOs

Info

ID:	24967
PubChem CID:	615353
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	-69.15
Dipole, Da:	1.09
IP(EA), eV:	-8.54(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)N

DOS

IR

Vibrations